ethyl 2-methyl-2-(2H-tetrazol-5-yl)propanoate

C7H12N4O2 — CID 10797568

IUPACethyl 2-methyl-2-(2H-tetrazol-5-yl)propanoate
SMILESCCOC(=O)C(C)(C)c1nn[nH]n1
InChIInChI=1S/C7H12N4O2/c1-4-13-6(12)7(2,3)5-8-10-11-9-5/h4H2,1-3H3,(H,8,9,10,11)
InChIKeyFYDORNUNECRMEO-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.04
Rot. Bonds3

About ethyl 2-methyl-2-(2H-tetrazol-5-yl)propanoate

ethyl 2-methyl-2-(2H-tetrazol-5-yl)propanoate (PubChem CID 10797568) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is ethyl 2-methyl-2-(2H-tetrazol-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(2H-tetrazol-5-yl)propanoate
PubChem CID10797568
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Nameethyl 2-methyl-2-(2H-tetrazol-5-yl)propanoate
SMILESCCOC(=O)C(C)(C)c1nn[nH]n1
InChIInChI=1S/C7H12N4O2/c1-4-13-6(12)7(2,3)5-8-10-11-9-5/h4H2,1-3H3,(H,8,9,10,11)
InChIKeyFYDORNUNECRMEO-UHFFFAOYSA-N
XLogP0.04
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-methyl-2-(2H-tetrazol-5-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-(2H-tetrazol-5-yl)pentan-3-one
CID 89112241
5-(2-ethoxypropan-2-yl)-2H-tetrazole
CID 116701279
ethyl 2-methyl-2-(5-methylpyrimidin-2-yl)propanoate
CID 143018916
4-methyl-4-(2H-tetrazol-5-yl)pentan-2-one
CID 143632830
CID 174581073
CID 174581073
ethyl 2-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propanoate
CID 82365288
ethyl 2H-tetrazole-5-carboxylate;molecular hydrogen
CID 155716466
ethyl 2-methyl-2-(1H-pyrazol-5-yl)propanoate
CID 162439676
diethyl 2,2,3,3-tetrahydroxybutanedioate
CID 11264895
ethyl 2-methyl-2-(4-methyl-1,2,4-triazol-3-yl)propanoate
CID 79471711
ethyl 2-(1H-imidazol-5-yl)-2-methylpropanoate;hydrochloride
CID 155858690
2,2,4-trimethyl-4-(2H-tetrazol-5-yl)pentanoyl iodide
CID 148785658

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(2H-tetrazol-5-yl)propanoate?
The IUPAC name of ethyl 2-methyl-2-(2H-tetrazol-5-yl)propanoate (CID 10797568) is ethyl 2-methyl-2-(2H-tetrazol-5-yl)propanoate.
What is the SMILES notation for ethyl 2-methyl-2-(2H-tetrazol-5-yl)propanoate?
The canonical SMILES for ethyl 2-methyl-2-(2H-tetrazol-5-yl)propanoate is CCOC(=O)C(C)(C)c1nn[nH]n1.
What is the InChIKey of ethyl 2-methyl-2-(2H-tetrazol-5-yl)propanoate?
The InChIKey is FYDORNUNECRMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-4-13-6(12)7(2,3)5-8-10-11-9-5/h4H2,1-3H3,(H,8,9,10,11).
What are the key properties of ethyl 2-methyl-2-(2H-tetrazol-5-yl)propanoate?
ethyl 2-methyl-2-(2H-tetrazol-5-yl)propanoate has a molecular weight of 184.20 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(2H-tetrazol-5-yl)propanoate is sourced from PubChem (CID 10797568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).